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2-Cyano-N-(2-p-tolyloxy-ethyl)-acetamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2-Cyano-N-(2-p-tolyloxy-ethyl)-acetamide
SpectraBase Compound ID 3p81rxGQPYT
InChI InChI=1S/C12H14N2O2/c1-10-2-4-11(5-3-10)16-9-8-14-12(15)6-7-13/h2-5H,6,8-9H2,1H3,(H,14,15)
InChIKey QHYAJNDIDCEATA-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6Qj97lpq2nt
Name 2-Cyano-N-(2-p-tolyloxy-ethyl)-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.105527697 u
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c1-10-2-4-11(5-3-10)16-9-8-14-12(15)6-7-13/h2-5H,6,8-9H2,1H3,(H,14,15)
InChIKey QHYAJNDIDCEATA-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES CC1=CC=C(OCCNC(CC#N)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870877